2-chloro-N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
2-chloro-N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Compound characteristics
| Compound ID: | C200-4495 |
| Compound Name: | 2-chloro-N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C20 H17 Cl N6 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3[Cl])=O)sn2)nnn1c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.639 |
| logD: | 3.6041 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.021 |
| InChI Key: | YWNCSESERUGODX-UHFFFAOYSA-N |